9-(3-methoxyphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione

Systemtic Name: 9-(3-methoxyphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Openeye Name: 9-(3-methoxyphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione CAS Name: 9-(3-methoxyphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione IUPAC Name: 9-(3-methoxyphenyl)-1-methyl-3-octadecyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-dione Traditional Name: 9-(3-methoxyphenyl)-1-methyl-3-stearyl-7,8-dihydro-6H-purino[7,8-a]pyrimidine-1,5-diium-2,4-quinone Formula: C34H53N5O3+2 MolecularWeight: 579.81632

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCN1C(=O)C2=[N+]3CCCN(C3=NC2=[N+](C1=O)C)C4=CC(=CC=C4)OC

InChI

InChI=1S/C34H53N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24-39-32(40)30-31(36(2)34(39)41)35-33-37(25-21-26-38(30)33)28-22-20-23-29(27-28)42-3/h20,22-23,27H,4-19,21,24-26H2,1-3H3/q+2